(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one

C8H12O3 — CID 11321082

IUPAC(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one
SMILESC/C=C/[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C8H12O3/c1-2-3-6(9)7-4-5-8(10)11-7/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7+/m0/s1
InChIKeyHSLUVDZLTGWSDM-AJFYLEMGSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds2

About (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one

(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one (PubChem CID 11321082) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one
PubChem CID11321082
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one
SMILESC/C=C/[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C8H12O3/c1-2-3-6(9)7-4-5-8(10)11-7/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7+/m0/s1
InChIKeyHSLUVDZLTGWSDM-AJFYLEMGSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one (CID 11321082) is (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one is C/C=C/[C@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one?
The InChIKey is HSLUVDZLTGWSDM-AJFYLEMGSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-6(9)7-4-5-8(10)11-7/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7+/m0/s1.
What are the key properties of (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one?
(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one is sourced from PubChem (CID 11321082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).